1,1,4,4-tetramethyl-2,3-diazaspiro[4.4]nona-2,6,8-triene

C11H16N2 — CID 11041257

IUPAC1,1,4,4-tetramethyl-2,3-diazaspiro[4.4]nona-2,6,8-triene
SMILESCC1(C)N=NC(C)(C)C12C=CC=C2
InChIInChI=1S/C11H16N2/c1-9(2)11(7-5-6-8-11)10(3,4)13-12-9/h5-8H,1-4H3
InChIKeyGNMCVYJCPYPFKS-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.12
Rot. Bonds

About 1,1,4,4-tetramethyl-2,3-diazaspiro[4.4]nona-2,6,8-triene

1,1,4,4-tetramethyl-2,3-diazaspiro[4.4]nona-2,6,8-triene (PubChem CID 11041257) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1,1,4,4-tetramethyl-2,3-diazaspiro[4.4]nona-2,6,8-triene.

Molecular Properties

Compound Name1,1,4,4-tetramethyl-2,3-diazaspiro[4.4]nona-2,6,8-triene
PubChem CID11041257
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name1,1,4,4-tetramethyl-2,3-diazaspiro[4.4]nona-2,6,8-triene
SMILESCC1(C)N=NC(C)(C)C12C=CC=C2
InChIInChI=1S/C11H16N2/c1-9(2)11(7-5-6-8-11)10(3,4)13-12-9/h5-8H,1-4H3
InChIKeyGNMCVYJCPYPFKS-UHFFFAOYSA-N
XLogP3.12
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,4,4-tetramethyl-2,3-diazaspiro[4.4]nona-2,6,8-triene?
The IUPAC name of 1,1,4,4-tetramethyl-2,3-diazaspiro[4.4]nona-2,6,8-triene (CID 11041257) is 1,1,4,4-tetramethyl-2,3-diazaspiro[4.4]nona-2,6,8-triene.
What is the SMILES notation for 1,1,4,4-tetramethyl-2,3-diazaspiro[4.4]nona-2,6,8-triene?
The canonical SMILES for 1,1,4,4-tetramethyl-2,3-diazaspiro[4.4]nona-2,6,8-triene is CC1(C)N=NC(C)(C)C12C=CC=C2.
What is the InChIKey of 1,1,4,4-tetramethyl-2,3-diazaspiro[4.4]nona-2,6,8-triene?
The InChIKey is GNMCVYJCPYPFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-9(2)11(7-5-6-8-11)10(3,4)13-12-9/h5-8H,1-4H3.
What are the key properties of 1,1,4,4-tetramethyl-2,3-diazaspiro[4.4]nona-2,6,8-triene?
1,1,4,4-tetramethyl-2,3-diazaspiro[4.4]nona-2,6,8-triene has a molecular weight of 176.26 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,4,4-tetramethyl-2,3-diazaspiro[4.4]nona-2,6,8-triene is sourced from PubChem (CID 11041257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).